N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methyl-2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylpyrimidin-2-yl)isonipecotamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=CC(=N4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=CC(=N4)C

InChI

InChI=1S/C20H23N5O2S/c1-3-27-15-4-5-16-17(12-15)28-20(23-16)24-18(26)14-7-10-25(11-8-14)19-21-9-6-13(2)22-19/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3,(H,23,24,26)